methyl 4-(methylamino)oxolane-3-carboxylate

C7H13NO3 — CID 66266872

IUPACmethyl 4-(methylamino)oxolane-3-carboxylate
SMILESCNC1COCC1C(=O)OC
InChIInChI=1S/C7H13NO3/c1-8-6-4-11-3-5(6)7(9)10-2/h5-6,8H,3-4H2,1-2H3
InChIKeyFJNGFPLWXNAXJA-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.61
Rot. Bonds2

About methyl 4-(methylamino)oxolane-3-carboxylate

methyl 4-(methylamino)oxolane-3-carboxylate (PubChem CID 66266872) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl 4-(methylamino)oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(methylamino)oxolane-3-carboxylate
PubChem CID66266872
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl 4-(methylamino)oxolane-3-carboxylate
SMILESCNC1COCC1C(=O)OC
InChIInChI=1S/C7H13NO3/c1-8-6-4-11-3-5(6)7(9)10-2/h5-6,8H,3-4H2,1-2H3
InChIKeyFJNGFPLWXNAXJA-UHFFFAOYSA-N
XLogP-0.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylamino)oxolane-3-carboxylate?
The IUPAC name of methyl 4-(methylamino)oxolane-3-carboxylate (CID 66266872) is methyl 4-(methylamino)oxolane-3-carboxylate.
What is the SMILES notation for methyl 4-(methylamino)oxolane-3-carboxylate?
The canonical SMILES for methyl 4-(methylamino)oxolane-3-carboxylate is CNC1COCC1C(=O)OC.
What is the InChIKey of methyl 4-(methylamino)oxolane-3-carboxylate?
The InChIKey is FJNGFPLWXNAXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-8-6-4-11-3-5(6)7(9)10-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of methyl 4-(methylamino)oxolane-3-carboxylate?
methyl 4-(methylamino)oxolane-3-carboxylate has a molecular weight of 159.18 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylamino)oxolane-3-carboxylate is sourced from PubChem (CID 66266872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).